6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

C19H19FN4O2S — CID 70751173

About 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (PubChem CID 70751173) has the molecular formula C19H19FN4O2S and a molecular weight of 386.45 g/mol. Its IUPAC name is 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• PubChem CID: 70751173
• Molecular Formula: C19H19FN4O2S
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.12
• IUPAC Name: 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• SMILES: O=C(c1cnc2sccn2c1=O)N1CCCN(Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C19H19FN4O2S/c20-15-4-2-14(3-5-15)13-22-6-1-7-23(9-8-22)17(25)16-12-21-19-24(18(16)26)10-11-27-19/h2-5,10-12H,1,6-9,13H2
• InChIKey: UPCJRIOBVKOQDF-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 57.92 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The IUPAC name of 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one (CID 70751173) is 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one.

What is the SMILES notation for 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The canonical SMILES for 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is O=C(c1cnc2sccn2c1=O)N1CCCN(Cc2ccc(F)cc2)CC1.

What is the InChIKey of 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

The InChIKey is UPCJRIOBVKOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2S/c20-15-4-2-14(3-5-15)13-22-6-1-7-23(9-8-22)17(25)16-12-21-19-24(18(16)26)10-11-27-19/h2-5,10-12H,1,6-9,13H2.

What are the key properties of 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one?

6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one has a molecular weight of 386.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(4-fluorophenyl)methyl]-1,4-diazepane-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one is sourced from PubChem (CID 70751173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).